Coumarin

Coumarin

SCHEMBL28089700

NC(=O)c1cccnc1.O=c1ccc2ccccc2o1

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.59
F3 P13726 1/20 0.59
SARM1 Q6SZW1 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.59
SIRT6 Q8N6T7 1/20 0.59
SIRT1 Q96EB6 1/20 0.59
SIRT3 Q9NTG7 1/20 0.59
SIRT5 Q9NXA8 1/20 0.59
SIRT4 Q9Y6E7 1/20 0.59
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 3/20 0.56
HPGD P15428 3/20 0.56
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
LMNA P02545 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Coumarin SCHEMBL14744008 0.84 CA12 (0.67) ALDH1A1HSD17B10HPGDCA12CA9
Coumarin SCHEMBL23929067 0.81 CA12 (0.77) ALDH1A1HSD17B10HPGDCA12CA9
Niacinamide SCHEMBL2926 0.77
Niacinamide SCHEMBL29624874 0.77
Niacinamide SCHEMBL19978192 0.77
Niacinamide SCHEMBL460466 0.77 F7 (1.00) F7F3SARM1SIRT2SIRT6
Coumarin SCHEMBL11798389 0.76 CA12 (0.74) ALDH1A1HSD17B10HPGDCA12CA9
Coumarin SCHEMBL28141892 0.76 CA12 (0.74) ALDH1A1HSD17B10HPGDCA12CA9
Coumarin SCHEMBL28679217 0.76 CA12 (0.80) ALDH1A1HSD17B10HPGDCA12CA9
Benzamide SCHEMBL594793 0.76 F7 (0.88) F7F3SARM1SIRT2SIRT6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105777729-A Coumarin amides compound as well as preparation method and application of coumarin amides compound 浙江工业大学 2016-07-20 CN disclosed